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Substance Name: Aureobasidin S2a
RN: 153954-72-4
InChIKey: AZWNOPVZWSHWAA-UHFFFAOYSA-N

Note

  • Produced by Aureobasidium pullulans R106; cyclic depsipeptide composed of eight amino acids & one hydroxy acid.

Molecular Weight

  • 1117.43
 
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Names and Synonyms

  • Aureobasidin S2a

Registry Numbers

CAS Registry Number

  • 153954-72-4

System Generated Number

  • 0153954724

Structure Descriptors

InChI

1S/C60H92N8O12/c1-17-37(9)46-57(76)65(14)47(35(5)6)52(71)61-42(31-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)66(15)48(36(7)8)53(72)62-43(32-39-23-20-19-21-24-39)54(73)64(13)45(33-40-26-28-41(69)29-27-40)56(75)68-30-22-25-44(68)51(70)63-46/h19-21,23-24,26-29,34-38,42-50,69,79H,17-18,22,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)

InChIKey

AZWNOPVZWSHWAA-UHFFFAOYSA-N

Smiles

OC([C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]([C@@H](CC)C)NC(=O)[C@@H]2N(C([C@@H](Cc3ccc(cc3)O)N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]([C@@H](C)CC)OC1=O)C)C(C)C)Cc1ccccc1)C)=O)CCC2)C)C(C)C)CC(C)C)(C)C